5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide

C21H25FN4O4 — CID 177371903

IUPAC5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide
SMILESO=C(Cc1ccccc1)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C21H25FN4O4/c22-17-14-26(21(30)24-19(17)28)20(29)23-10-4-7-15-8-11-25(12-9-15)18(27)13-16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2,(H,23,29)(H,24,28,30)
InChIKeyAQMFPNHJWHJZCU-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.49
Rot. Bonds6

About 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide (PubChem CID 177371903) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide
PubChem CID177371903
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Name5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide
SMILESO=C(Cc1ccccc1)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C21H25FN4O4/c22-17-14-26(21(30)24-19(17)28)20(29)23-10-4-7-15-8-11-25(12-9-15)18(27)13-16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2,(H,23,29)(H,24,28,30)
InChIKeyAQMFPNHJWHJZCU-UHFFFAOYSA-N
XLogP1.49
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[4-[1-(2-phenylacetyl)piperidin-4-yl]butyl]urea
CID 169317885
5-fluoro-N-[2-(4-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10757550
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
4-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]butylurea
CID 166835126
ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
CID 175007671
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide (CID 177371903) is 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide is O=C(Cc1ccccc1)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide?
The InChIKey is AQMFPNHJWHJZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4/c22-17-14-26(21(30)24-19(17)28)20(29)23-10-4-7-15-8-11-25(12-9-15)18(27)13-16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2,(H,23,29)(H,24,28,30).
What are the key properties of 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-[3-[1-(2-phenylacetyl)piperidin-4-yl]propyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 177371903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).